On the public citation graph
Mechanistic Applicability Domains for Nonanimal-Based Prediction of Toxicological End Points: General Principles and Application to Reactive Toxicity
0 signed · 270 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/qsar.19960150405openalex-snapshot
Quantum‐chemical Descriptors for Estimating the Acute Toxicity of Electrophiles to the Fathed minnow (Pimephales promelas): An Analysis Based on Molecular Mechanisms
inferredcites →https://doi.org/10.1016/0022-5193(82)90199-0openalex-snapshot
The derivation of quantitative correlations between skin sensitisation and physio-chemical parameters for alkylating agents, and their application to experimental data for sultones
inferredcites →https://doi.org/10.1021/es990251bopenalex-snapshot
Comparing the Potency of Chemicals with Multiple Modes of Action in Aquatic Toxicology: Acute Toxicity Due to Narcosis versus Reactive Toxicity of Acrylic Compounds
inferredcites →https://doi.org/10.1021/tx00032a011openalex-snapshot
Bihaptens with 5- and 6-methyl-substituted alkylcatechols and methylene lactone functional groups: Tools for hapten (allergen or tolerogen)-protein interaction studies
inferredcites →https://doi.org/10.1021/tx00039a001openalex-snapshot
A Violation of the Swain-Scott Principle, and Not SN1 versus SN2Reaction Mechanisms, Explains Why Carcinogenic Alkylating Agents Can Form Different Proportions of Adducts at Oxygen versus Nitrogen in DNA
inferredcites →https://doi.org/10.1021/tx00039a005openalex-snapshot
Structure-Activity Relationships for Contact Allergenic Potential of .gamma.,.gamma.-Dimethyl-.gamma.-butyrolactone Derivatives. 1. Synthesis and Electrophilic Reactivity Studies of .alpha.-(.omega.-Substituted-alkyl)-.gamma.,.gamma.-dimethyl-.gamma.-butyrolactones and Correlation of Skin…
inferredcites →https://doi.org/10.1021/tx00039a006openalex-snapshot
Structure-Activity Relationships for Contact Allergenic Potential of .gamma.,.gamma.-Dimethyl-.gamma.-butyrolactone Derivatives. 2. Quantitative Structure-Skin Sensitization Relationships for .alpha.-Substituted-.alpha.-methyl-.gamma.,.gamma.-dimethyl-.gamma.-butyrolactones
inferredcites →https://doi.org/10.1021/tx00046a008openalex-snapshot
Linear Free Energy Relationships for Reactions of Electrophilic Halo- and Pseudohalobenzenes, and Their Application in Prediction of Skin Sensitization Potential for SNAr Electrophiles
inferredcites →https://doi.org/10.1021/tx0256634openalex-snapshot
Studies of Chemical Selectivity of Hapten, Reactivity, and Skin Sensitization Potency. 3. Synthesis and Studies on the Reactivity toward Model Nucleophiles of the 13 C-Labeled Skin Sensitizers, 5-Chloro-2-methylisothiazol-3-one (MCI) and 2-Methylisothiazol-3-one (MI)
inferredcites →https://doi.org/10.1021/tx049715wopenalex-snapshot
From Experiment to Theory: Molecular Orbital Parameters to Interpret the Skin Sensitization Potential of 5-Chloro-2-methylisothiazol-3-one and 2-Methylisothiazol-3-one
inferredcites →https://doi.org/10.1021/tx060121yopenalex-snapshot
Electrophilic Chemistry Related to Skin Sensitization. Reaction Mechanistic Applicability Domain Classification for a Published Data Set of 106 Chemicals Tested in the Mouse Local Lymph Node Assay
inferredcites →https://doi.org/10.1034/j.1600-0536.2001.045002128.xopenalex-snapshot
Allergic contact dermatitis: chemical and metabolic mechanisms
inferredcites →https://doi.org/10.1039/qr9581200001openalex-snapshot
Mechanism and reactivity in aromatic nucleophilic substitution reactions
inferredcites →https://doi.org/10.1039/tf9484400045openalex-snapshot
The replacement reactions of β-β′-dichlorodiethyl sulphide and of some analogues in aqueous solution: the isolation of β-chloro-β′-hydroxy diethyl sulphide
inferredcites →https://doi.org/10.1080/02772248509357080openalex-snapshot
Quantitative correlation studies between the acute lethal toxicity of 15 organic halides to the guppy (Poecillah Reticulata) and chemical reactivity towards 4‐nitrobenzylpyridine
inferredcites →https://doi.org/10.1201/9780203642627openalex-snapshot
Predicting Chemical Toxicity and Fate
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781119060208.ch8openalex-snapshot
A Toxicological Application of Signal Transduction
inferred← citeshttps://doi.org/10.1002/9781119681397.ch24openalex-snapshot
The Use and Evolution of Web Tools for Aquatic Toxicology Studies
inferred← citeshttps://doi.org/10.1002/9783527627448.ch18openalex-snapshot
Profiling Adverse Immune Effects
inferred← citeshttps://doi.org/10.1002/ange.201005959openalex-snapshot
An NMR Spectroscopic Method to Identify and Classify Thiol‐Trapping Agents: Revival of Michael Acceptors for Drug Discovery?
inferred← citeshttps://doi.org/10.1002/anie.201005959openalex-snapshot
An NMR Spectroscopic Method to Identify and Classify Thiol‐Trapping Agents: Revival of Michael Acceptors for Drug Discovery?
inferred← citeshttps://doi.org/10.1002/cbdv.201800269openalex-snapshot
Inhibition of Pro‐Inflammatory Functions of Human Neutrophils by Constituents of Melodorum fruticosum Leaves
inferred← citeshttps://doi.org/10.1002/cmdc.202200196openalex-snapshot
Natural Products from Annonaceae as Potential Antichagasic Agents
inferred← citeshttps://doi.org/10.1002/cmdc.202400743openalex-snapshot
MuDRA‐Based Virtual Screening of Terpenes for Anti‐Leishmania Infantum Activity: In Vitro Validation and Mechanistic Insights from Molecular Docking
inferred← citeshttps://doi.org/10.1002/jat.1289openalex-snapshot
Determinants of skin sensitisation potential
inferred← citeshttps://doi.org/10.1002/jat.1293openalex-snapshot
Chemical reactivity indices and mechanism‐based read‐across for non‐animal based assessment of skin sensitisation potential
inferred← citeshttps://doi.org/10.1002/jat.1312openalex-snapshot
Structure–activity relationships for thiol reactivity and rat or human hepatocyte toxicity induced by substituted p ‐benzoquinone compounds
inferred← citeshttps://doi.org/10.1002/jat.1366openalex-snapshot
Structure–activity relationships for hepatocyte toxicity and electrophilic reactivity of α,β‐unsaturated esters, acrylates and methacrylates
inferred← citeshttps://doi.org/10.1002/jat.3354openalex-snapshot
Is skin penetration a determining factor in skin sensitization potential and potency? Refuting the notion of a LogKow threshold for skin sensitization
inferred← citeshttps://doi.org/10.1002/jat.3948openalex-snapshot
Oxidation of a cysteine‐derived nucleophilic reagent by dimethyl sulfoxide in the amino acid derivative reactivity assay
inferred← citeshttps://doi.org/10.1002/jat.4395openalex-snapshot
Assessment of commercial polymers with and without reactive groups using amino acid derivative reactivity assay based on both molar concentration approach and gravimetric approach
inferred← citeshttps://doi.org/10.1002/minf.201300161openalex-snapshot
A Combinational Strategy of Model Disturbance and Outlier Comparison to Define Applicability Domain in Quantitative Structural Activity Relationship
inferred← citeshttps://doi.org/10.1002/minf.201501017openalex-snapshot
Mind the Gap! A Journey towards Computational Toxicology
inferred← citeshttps://doi.org/10.1002/qsar.200710067openalex-snapshot
A Minireview of Available Skin Sensitization (Q)SARs/Expert Systems
inferred← citeshttps://doi.org/10.1002/wcms.1240openalex-snapshot
In silico toxicology: computational methods for the prediction of chemical toxicity
inferred← citeshttps://doi.org/10.1007/978-1-0716-0150-1_27openalex-snapshot
Quantitative Structure-Toxicity Relationship Models Based on Hydrophobicity and Electrophilicity
inferred← citeshttps://doi.org/10.1007/978-1-4020-9783-6_11openalex-snapshot
Prediction of Harmful Human Health Effects of Chemicals from Structure
inferred← citeshttps://doi.org/10.1007/978-1-4020-9783-6_2openalex-snapshot
The Use of Quantum Mechanics Derived Descriptors in Computational Toxicology
inferred← citeshttps://doi.org/10.1007/978-1-4020-9783-6_7openalex-snapshot
Chemical Category Formation and Read-Across for the Prediction of Toxicity
inferred← citeshttps://doi.org/10.1007/978-1-4419-0197-2_3openalex-snapshot
Chemistry Based Nonanimal Predictive Modeling for Skin Sensitization
inferred← citeshttps://doi.org/10.1007/978-1-4939-3609-0_19openalex-snapshot
A Round Trip from Medicinal Chemistry to Predictive Toxicology
inferred← citeshttps://doi.org/10.1007/978-3-030-36335-2_13openalex-snapshot
Predictive Tests for Irritants and Allergens: Human, Animal, and In Vitro Tests
inferred← citeshttps://doi.org/10.1007/978-3-319-33826-2_13openalex-snapshot
Integrated Approaches to Testing and Assessment
inferred← citeshttps://doi.org/10.1007/978-3-319-33826-2_6openalex-snapshot
Validation of Computational Methods
inferred← citeshttps://doi.org/10.1007/978-3-319-50353-0_22openalex-snapshot
U-SENS™: A U937 Cell Line Activation Test for Skin Sensitization
inferred← citeshttps://doi.org/10.1007/978-3-319-72451-5_13-1openalex-snapshot
Predictive Tests for Irritants and Allergens: Human, Animal, and In Vitro Tests
inferred← citeshttps://doi.org/10.1007/s00044-023-03131-wopenalex-snapshot
Synthesis of 2-amino-4H-chromenes catalyst-free via sequential Knoevenagel-Michael reaction and evaluation of biological activity in tumor cells
inferred← citeshttps://doi.org/10.1007/s00128-016-1871-yopenalex-snapshot
Kinetic-Based Reactivity for Michael Acceptors: Structural Activity Relationships and Its Relationship to Excess Acute Fish Toxicity
inferred← citeshttps://doi.org/10.1007/s00204-011-0693-2openalex-snapshot
Alternative (non-animal) methods for cosmetics testing: current status and future prospects—2010
inferred← citeshttps://doi.org/10.1007/s00204-016-1842-4openalex-snapshot
State of the art in non-animal approaches for skin sensitization testing: from individual test methods towards testing strategies
inferred← citeshttps://doi.org/10.1007/s00216-011-5673-0openalex-snapshot
Electrochemical oxidation and protein adduct formation of aniline: a liquid chromatography/mass spectrometry study
inferred← citeshttps://doi.org/10.1007/s11030-025-11200-yopenalex-snapshot
Exploring Lamiaceae diterpenoids as potential multitarget therapeutics for leishmaniasis and chagas disease
inferred← citeshttps://doi.org/10.1007/s11094-012-0826-9openalex-snapshot
Acute toxicity of chemicals with respect to guppy studied using a linear discriminant – regression approach
inferred← citeshttps://doi.org/10.1007/s11101-025-10207-5openalex-snapshot
Isoquinoline alkaloids from Amaryllidaceae plants as potential agents against neglected tropical diseases: a review from 2019 to 2025
inferred← citeshttps://doi.org/10.1007/s11356-025-36604-zopenalex-snapshot
Improved predictive modeling of toxicity for organic compounds, including toxic organophosphates and polychlorinated cyclic compounds, in Labeo rohita using interpretable structural parameters
inferred← citeshttps://doi.org/10.1007/s13659-012-0071-7openalex-snapshot
Exploring of drug leads from diversity-oriented Michael-acceptor library derived from natural products
inferred← citeshttps://doi.org/10.1016/b978-0-323-91172-6.00001-7openalex-snapshot
Quantitative structure–activity relationship-based computational approaches
inferred← citeshttps://doi.org/10.1016/b978-0-443-15339-6.00017-5openalex-snapshot
Deploying QSAR to discriminate excess toxicity and identify the toxic mode of action of organic pollutants to aquatic organisms
inferred← citeshttps://doi.org/10.1016/b978-0-443-15842-1.00015-6openalex-snapshot
Adverse outcome pathway: A paradigm shift in chemical toxicological analysis
inferred← citeshttps://doi.org/10.1016/j.bmc.2007.12.018openalex-snapshot
Structure–reactivity relationships for electrophilic sugars in interaction with nucleophilic biological targets
inferred← citeshttps://doi.org/10.1016/j.bmc.2013.10.011openalex-snapshot
Design and synthesis of novel antimicrobials with activity against Gram-positive bacteria and mycobacterial species, including M. tuberculosis
inferred← citeshttps://doi.org/10.1016/j.bmcl.2017.09.013openalex-snapshot
Design and synthesis of pregnenolone/2-cyanoacryloyl conjugates with dual NF-κB inhibitory and anti-proliferative activities
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2007.12.011openalex-snapshot
An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2008.05.024openalex-snapshot
A novel approach to predict aquatic toxicity from molecular structure
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2008.06.052openalex-snapshot
Classification of chemicals according to mechanism of aquatic toxicity: An evaluation of the implementation of the Verhaar scheme in Toxtree
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2011.07.037openalex-snapshot
Application of a computational model for Michael addition reactivity in the prediction of toxicity to Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2015.01.028openalex-snapshot
Investigation on modes of toxic action to rats based on aliphatic and aromatic compounds and comparison with fish toxicity based on exposure routes
inferred← citeshttps://doi.org/10.1016/j.comtox.2017.11.001openalex-snapshot
A new classification algorithm based on mechanisms of action
inferred← citeshttps://doi.org/10.1016/j.comtox.2018.03.001openalex-snapshot
Dempster-Shafer theory for combining in silico evidence and estimating uncertainty in chemical risk assessment
inferred← citeshttps://doi.org/10.1016/j.comtox.2019.01.006openalex-snapshot
Automated and standardized workflows in the OECD QSAR Toolbox
inferred← citeshttps://doi.org/10.1016/j.comtox.2019.100100openalex-snapshot
Comparing and contrasting the coverage of publicly available structural alerts for protein binding
inferred← citeshttps://doi.org/10.1016/j.comtox.2019.100117openalex-snapshot
Development of a fragment-based in silico profiler for SN2 thiol reactivity and its application in predicting toxicity of chemicals towards Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1016/j.comtox.2021.100194openalex-snapshot
The QSAR Toolbox automated read-across workflow for predicting acute oral toxicity: II. Verification and validation
inferred← citeshttps://doi.org/10.1016/j.comtox.2021.100201openalex-snapshot
Implementation of in silico toxicology protocols within a visual and interactive hazard assessment platform
inferred← citeshttps://doi.org/10.1016/j.comtox.2021.100204openalex-snapshot
Evaluating confidence in toxicity assessments based on experimental data and in silico predictions
inferred← citeshttps://doi.org/10.1016/j.comtox.2023.100271openalex-snapshot
Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library
inferred← citeshttps://doi.org/10.1016/j.comtox.2025.100348openalex-snapshot
Consensus model for skin sensitization assessment using a rule-based model and LLNA and GPMT statistics-based models
inferred← citeshttps://doi.org/10.1016/j.crtox.2020.09.002openalex-snapshot
Toxicological testing of syringaresinol and enterolignans
inferred← citeshttps://doi.org/10.1016/j.ddmec.2008.06.001openalex-snapshot
Skin, drug and chemical reactions
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2012.12.016openalex-snapshot
Assessment and modeling of the novel toxicity data set of phenols to Chlorella vulgaris
inferred← citeshttps://doi.org/10.1016/j.ejps.2025.107238openalex-snapshot
Photodegradation of the antibacterial, antifungal and antiprotozoal drug candidate 2-(2-nitrovinyl) furan (G-0) in solid inclusion complexes with β-cyclodextrin derivatives: Characterization by NMR spectroscopy and in silico toxicity screening
inferred← citeshttps://doi.org/10.1016/j.fct.2014.11.014openalex-snapshot
Criteria for the Research Institute for Fragrance Materials, Inc. (RIFM) safety evaluation process for fragrance ingredients
inferred← citeshttps://doi.org/10.1016/j.fitote.2016.08.012openalex-snapshot
Anti-inflammatory triterpenes from the apical bud of Gardenia sootepensis
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2010.07.116openalex-snapshot
QSTR with extended topochemical atom (ETA) indices. 14. QSAR modeling of toxicity of aromatic aldehydes to Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2026.142634openalex-snapshot
Organic acids enhanced the phototransformation of 1-nitronaphthalene in skin sweat: The critical role of carbon-centered radicals
inferred← citeshttps://doi.org/10.1016/j.molstruc.2018.11.052openalex-snapshot
Synthesis, characterization, superoxide anion scavenging evaluation, skin sensitization predictions, and DFT calculations for a new isonicotinylhydrazide analog
inferred← citeshttps://doi.org/10.1016/j.mrgentox.2011.12.029openalex-snapshot
Development of new structural alerts suitable for chemical category formation for assigning covalent and non-covalent mechanisms relevant to DNA binding
inferred← citeshttps://doi.org/10.1016/j.nexres.2026.102362openalex-snapshot
A comprehensive review of chemoinformatics: From molecular representation to data-driven design
inferred← citeshttps://doi.org/10.1016/j.phymed.2024.155414openalex-snapshot
Multitarget anti-parasitic activities of isoquinoline alkaloids isolated from Hippeastrum aulicum (Amaryllidaceae)
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2017.10.308openalex-snapshot
Development of thresholds of excess toxicity for environmental species and their application to identification of modes of acute toxic action
inferred← citeshttps://doi.org/10.1016/j.steroids.2011.05.012openalex-snapshot
Ring A structural modified derivatives of withaferin A and the evaluation of their cytotoxic potential
inferred← citeshttps://doi.org/10.1016/j.tetlet.2013.12.061openalex-snapshot
Stereoselective total synthesis of (+)-boronolide, (+)-anamarine, 8-epi-spicegerolide
inferred← citeshttps://doi.org/10.1016/j.tiv.2008.12.025openalex-snapshot
Quantitative structure–property relationship modeling of skin sensitization: A quantitative prediction
inferred← citeshttps://doi.org/10.1016/j.tiv.2010.11.007openalex-snapshot
Chemical reactivity measurements: Potential for characterization of respiratory chemical allergens
inferred← citeshttps://doi.org/10.1016/j.tiv.2011.04.015openalex-snapshot
Modelling acute oral mammalian toxicity. 1. Definition of a quantifiable baseline effect
inferred← citeshttps://doi.org/10.1016/j.tiv.2012.10.010openalex-snapshot
Potential of in vitro reconstituted 3D human airway epithelia (MucilAir™) to assess respiratory sensitizers
inferred← citeshttps://doi.org/10.1016/j.tiv.2014.08.002openalex-snapshot
LuSens: A keratinocyte based ARE reporter gene assay for use in integrated testing strategies for skin sensitization hazard identification
inferred← citeshttps://doi.org/10.1016/j.tiv.2015.03.009openalex-snapshot
The Myeloid U937 Skin Sensitization Test (U-SENS) addresses the activation of dendritic cell event in the adverse outcome pathway for skin sensitization
inferred← citeshttps://doi.org/10.1016/j.tiv.2015.09.028openalex-snapshot
Prospective multicentre study of the U-SENS test method for skin sensitization testing
inferred← citeshttps://doi.org/10.1016/j.tiv.2016.01.004openalex-snapshot
Intra- and inter-laboratory reproducibility and accuracy of the LuSens assay: A reporter gene-cell line to detect keratinocyte activation by skin sensitizers
inferred← citeshttps://doi.org/10.1016/j.tiv.2016.04.005openalex-snapshot
Peptide reactivity associated with skin sensitization: The QSAR Toolbox and TIMES compared to the DPRA
inferred← citeshttps://doi.org/10.1016/j.tiv.2018.01.021openalex-snapshot
Predicting skin sensitizers with confidence — Using conformal prediction to determine applicability domain of GARD
inferred← citeshttps://doi.org/10.1016/j.tiv.2019.05.008openalex-snapshot
Assessment of a defined approach based on a stacking prediction model to identify skin sensitization hazard
inferred← citeshttps://doi.org/10.1016/j.tiv.2020.104831openalex-snapshot
Skin sensitisation testing in practice: Applying a stacking meta model to cosmetic ingredients
inferred← citeshttps://doi.org/10.1016/j.tiv.2020.105017openalex-snapshot
Comparison of the predictive nature of the Genomic Allergen Rapid Detection (GARD) assay with mammalian assays in determining the skin sensitisation potential of agrochemical active ingredients
inferred← citeshttps://doi.org/10.1016/j.tox.2006.11.043openalex-snapshot
Reactivity assays for non-animal based prediction of skin sensitisation potential
inferred← citeshttps://doi.org/10.1016/j.tox.2009.11.023openalex-snapshot
A topological substructural molecular design approach for predicting mutagenesis end-points of α , β -unsaturated carbonyl compounds
inferred← citeshttps://doi.org/10.1016/j.tox.2015.11.002openalex-snapshot
Reactivity measurement in estimation of benzoquinone and benzoquinone derivatives’ allergenicity
inferred← citeshttps://doi.org/10.1016/j.tox.2017.02.002openalex-snapshot
Diacetyl and related flavorant α-Diketones: Biotransformation, cellular interactions, and respiratory-tract toxicity
inferred← citeshttps://doi.org/10.1016/j.toxlet.2007.05.210openalex-snapshot
Mechanism-based chemical reactivity kinetic data for input into novel integrated approaches to predict skin sensitisation potential
inferred← citeshttps://doi.org/10.1016/j.toxlet.2010.07.004openalex-snapshot
An Integrated Assessment Scheme for assessing the adequacy of (eco)toxicological data under REACH
inferred← citeshttps://doi.org/10.1016/j.toxrep.2025.101939openalex-snapshot
Equations for estimating binary mixture toxicity: Methyl-2-chloroacetoacetate-containing combinations
inferred← citeshttps://doi.org/10.1016/j.yrtph.2007.03.003openalex-snapshot
TIMES-SS—A promising tool for the assessment of skin sensitization hazard. A characterization with respect to the OECD validation principles for (Q)SARs and an external evaluation for predictivity
inferred← citeshttps://doi.org/10.1016/j.yrtph.2008.02.010openalex-snapshot
The Dermal Sensitisation Threshold—A TTC approach for allergic contact dermatitis
inferred← citeshttps://doi.org/10.1016/j.yrtph.2008.05.012openalex-snapshot
Toxmatch—A chemical classification and activity prediction tool based on similarity measures
inferred← citeshttps://doi.org/10.1016/j.yrtph.2009.05.020openalex-snapshot
Evaluation for skin sensitization based on published literatures (existing information) of major PRTR designated chemical substances in Japan
inferred← citeshttps://doi.org/10.1016/j.yrtph.2010.05.002openalex-snapshot
Weight factors in an Integrated Testing Strategy using adjusted OECD principles for (Q)SARs and extended Klimisch codes to decide on skin irritation classification
inferred← citeshttps://doi.org/10.1016/j.yrtph.2011.03.009openalex-snapshot
Refinement of the Dermal Sensitisation Threshold (DST) approach using a larger dataset and incorporating mechanistic chemistry domains
inferred← citeshttps://doi.org/10.1016/j.yrtph.2012.02.007openalex-snapshot
Guiding principles for the implementation of non-animal safety assessment approaches for cosmetics: Skin sensitisation
inferred← citeshttps://doi.org/10.1016/j.yrtph.2012.05.013openalex-snapshot
Putting the parts together: Combining in vitro methods to test for skin sensitizing potentials
inferred← citeshttps://doi.org/10.1016/j.yrtph.2013.06.002openalex-snapshot
Use of category approaches, read-across and (Q)SAR: General considerations
inferred← citeshttps://doi.org/10.1016/j.yrtph.2013.09.007openalex-snapshot
Computer models versus reality: How well do in silico models currently predict the sensitization potential of a substance
inferred← citeshttps://doi.org/10.1016/j.yrtph.2014.06.001openalex-snapshot
Towards AOP application – Implementation of an integrated approach to testing and assessment (IATA) into a pipeline tool for skin sensitization
inferred← citeshttps://doi.org/10.1016/j.yrtph.2014.09.009openalex-snapshot
Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA)
inferred← citeshttps://doi.org/10.1016/j.yrtph.2015.02.011openalex-snapshot
Proposing a scientific confidence framework to help support the application of adverse outcome pathways for regulatory purposes
inferred← citeshttps://doi.org/10.1016/j.yrtph.2015.03.001openalex-snapshot
Principles for identification of High Potency Category Chemicals for which the Dermal Sensitisation Threshold (DST) approach should not be applied
inferred← citeshttps://doi.org/10.1016/j.yrtph.2015.03.015openalex-snapshot
Building scientific confidence in the development and evaluation of read-across
inferred← citeshttps://doi.org/10.1016/j.yrtph.2015.04.020openalex-snapshot
Extension of the Dermal Sensitisation Threshold (DST) approach to incorporate chemicals classified as reactive
inferred← citeshttps://doi.org/10.1016/j.yrtph.2016.07.007openalex-snapshot
Chemical applicability domain of the Local Lymph Node Assay (LLNA) for skin sensitization potency. Part 1. Underlying physical organic chemistry principles and the extent to which they are represented in the LLNA validation dataset
inferred← citeshttps://doi.org/10.1016/j.yrtph.2016.07.018openalex-snapshot
Chemical applicability domain of the Local Lymph Node Assay (LLNA) for skin sensitisation potency. Part 3. Apparent discrepancies between LLNA and GPMT sensitisation potential: False positives or differences in sensitivity?
inferred← citeshttps://doi.org/10.1016/j.yrtph.2018.04.022openalex-snapshot
Chemical applicability domain of the local lymph node assay (LLNA) for skin sensitisation potency. Part 4. Quantitative correlation of LLNA potency with human potency
inferred← citeshttps://doi.org/10.1016/j.yrtph.2018.11.001openalex-snapshot
A defined approach for predicting skin sensitisation hazard and potency based on the guided integration of in silico, in chemico and in vitro data using exclusion criteria
inferred← citeshttps://doi.org/10.1016/j.yrtph.2020.104688openalex-snapshot
Skin sensitization in silico protocol
inferred← citeshttps://doi.org/10.1016/j.yrtph.2020.104732openalex-snapshot
Application of the dermal sensitization threshold concept to chemicals classified as high potency category for skin sensitization assessment of ingredients for consumer products
inferred← citeshttps://doi.org/10.1016/j.yrtph.2021.105019openalex-snapshot
Development of quantitative model of a local lymph node assay for evaluating skin sensitization potency applying machine learning CatBoost
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.1c00266openalex-snapshot
Amino Reactivity of Glutardialdehyde and Monoaldehydes─Chemoassay Profile vs Skin Sensitization Potency
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.3c00013openalex-snapshot
Amino Chemoassay Profiling of Aromatic Aldehydes–Unraveling Drivers of Their Skin Sensitization Potency
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.5b00208openalex-snapshot
Adverse Outcome Pathways and Drug-Induced Liver Injury Testing
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.6b00099openalex-snapshot
Development of a Fragment-Based in Silico Profiler for Michael Addition Thiol Reactivity
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.6b00241openalex-snapshot
Structure–Potency Relationships for Epoxides in Allergic Contact Dermatitis
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.6b00341openalex-snapshot
A History of the Molecular Initiating Event
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.6b00361openalex-snapshot
Validation of a Fragment-Based Profiler for Thiol Reactivity for the Prediction of Toxicity: Skin Sensitization and Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.7b00050openalex-snapshot
Skin Sensitization QMM for HRIPT NOEL Data: Aldehyde Schiff-Base Domain
inferred← citeshttps://doi.org/10.1021/acs.est.0c07660openalex-snapshot
Reactions of α,β-Unsaturated Carbonyls with Free Chlorine, Free Bromine, and Combined Chlorine
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01126openalex-snapshot
TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity
inferred← citeshttps://doi.org/10.1021/cr100098nopenalex-snapshot
Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology
inferred← citeshttps://doi.org/10.1021/es505383bopenalex-snapshot
Prediction of Hydrolysis Pathways and Kinetics for Antibiotics under Environmental pH Conditions: A Quantum Chemical Study on Cephradine
inferred← citeshttps://doi.org/10.1021/ol102802uopenalex-snapshot
Spirocurcasone, a Diterpenoid with a Novel Carbon Skeleton from Jatropha curcas
inferred← citeshttps://doi.org/10.1021/tx100161jopenalex-snapshot
Use of Genotoxicity Information in the Development of Integrated Testing Strategies (ITS) for Skin Sensitization
inferred← citeshttps://doi.org/10.1021/tx100172xopenalex-snapshot
Prediction of Michael-Type Acceptor Reactivity toward Glutathione
inferred← citeshttps://doi.org/10.1021/tx100218hopenalex-snapshot
Mechanistic Category Formation for the Prediction of Respiratory Sensitization
inferred← citeshttps://doi.org/10.1021/tx100292nopenalex-snapshot
Structure−Activity Comparison of the Cytotoxic Properties of Diethyl Maleate and Related Molecules: Identification of Diethyl Acetylenedicarboxylate as a Thiol Cross-Linking Agent
inferred← citeshttps://doi.org/10.1021/tx100420wopenalex-snapshot
Chemistry-Based Risk Assessment for Skin Sensitization: Quantitative Mechanistic Modeling for the SNAr Domain
inferred← citeshttps://doi.org/10.1021/tx2003257openalex-snapshot
Application of the Hard and Soft, Acids and Bases (HSAB) Theory to Toxicant–Target Interactions
inferred← citeshttps://doi.org/10.1021/tx2003678openalex-snapshot
Relating Skin Sensitizing Potency to Chemical Reactivity: Reactive Michael Acceptors Inhibit NF-κB Signaling and Are Less Sensitizing than SNAr- and SN2- Reactive Chemicals
inferred← citeshttps://doi.org/10.1021/tx3003092openalex-snapshot
Development of Mechanism-Based Structural Alerts for Respiratory Sensitization Hazard Identification
inferred← citeshttps://doi.org/10.1021/tx4000655openalex-snapshot
Predicting Skin Sensitization Potency for Michael Acceptors in the LLNA Using Quantum Mechanics Calculations
inferred← citeshttps://doi.org/10.1021/tx400097vopenalex-snapshot
Is Diacetyl a Respiratory Sensitizer? A Reconsideration Using QSAR, QMM, and Competition Experiments
inferred← citeshttps://doi.org/10.1021/tx400323eopenalex-snapshot
Skin Sensitization Prediction Using Quantum Chemical Calculations: A Theoretical Model for the SNAr Domain
inferred← citeshttps://doi.org/10.1021/tx400345bopenalex-snapshot
A Mechanistic Approach to Modeling Respiratory Sensitization
inferred← citeshttps://doi.org/10.1021/tx700169wopenalex-snapshot
TIMES-SS—A Mechanistic Evaluation of an External Validation Study Using Reaction Chemistry Principles
inferred← citeshttps://doi.org/10.1021/tx700212uopenalex-snapshot
Verification of the Structural Alerts for Michael Acceptors
inferred← citeshttps://doi.org/10.1021/tx700322gopenalex-snapshot
Quantitative and Mechanistic Read Across for Predicting the Skin Sensitization Potential of Alkenes Acting via Michael Addition
inferred← citeshttps://doi.org/10.1021/tx700338qopenalex-snapshot
A Comparison of Reactivity Schemes for the Prediction Skin Sensitization Potential
inferred← citeshttps://doi.org/10.1021/tx8002438openalex-snapshot
Formation of Categories from Structure−Activity Relationships To Allow Read-Across for Risk Assessment: Toxicity of α,β-Unsaturated Carbonyl Compounds
inferred← citeshttps://doi.org/10.1021/tx800431xopenalex-snapshot
High Throughput Kinetic Profiling Approach for Covalent Binding to Peptides: Application to Skin Sensitization Potency of Michael Acceptor Electrophiles
inferred← citeshttps://doi.org/10.1021/tx9000336openalex-snapshot
Chemical Mechanisms for Skin Sensitization by Aromatic Compounds with Hydroxy and Amino Groups
inferred← citeshttps://doi.org/10.1021/tx9001463openalex-snapshot
Electrophilic Reaction Chemistry of Low Molecular Weight Respiratory Sensitizers
inferred← citeshttps://doi.org/10.1021/tx9003648openalex-snapshot
Experimental Reactivity Parameters for Toxicity Modeling: Application to the Acute Aquatic Toxicity of SN2 Electrophiles to Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1038/nchem.2479openalex-snapshot
Counting on natural products for drug design
inferred← citeshttps://doi.org/10.1038/nri3150openalex-snapshot
Early immune events in the induction of allergic contact dermatitis
inferred← citeshttps://doi.org/10.1039/9781849732093-00193openalex-snapshot
The Use of Frontier Molecular Orbital Calculations in Predictive Reactive Toxicology
inferred← citeshttps://doi.org/10.1039/9781849732093-00334openalex-snapshot
Mechanisms of Toxic Action in In Silico Toxicology
inferred← citeshttps://doi.org/10.1039/9781849732093-00346openalex-snapshot
Adverse Outcome Pathways: A Way of Linking Chemical Structure to In Vivo Toxicological Hazards
inferred← citeshttps://doi.org/10.1039/c1ob06065aopenalex-snapshot
Predicting Michael-acceptor reactivity and toxicity through quantum chemical transition-state calculations
inferred← citeshttps://doi.org/10.1039/c5tx00246jopenalex-snapshot
Mechanistic understanding of molecular initiating events (MIEs) using NMR spectroscopy
inferred← citeshttps://doi.org/10.1039/c6gc00720aopenalex-snapshot
Assessment of predictive models for estimating the acute aquatic toxicity of organic chemicals
inferred← citeshttps://doi.org/10.1039/c8gc00482jopenalex-snapshot
The Green ChemisTREE: 20 years after taking root with the 12 principles
inferred← citeshttps://doi.org/10.1039/d0em00471eopenalex-snapshot
Reactivity-directed analysis – a novel approach for the identification of toxic organic electrophiles in drinking water
inferred← citeshttps://doi.org/10.1080/02772248.2012.740046openalex-snapshot
In silicoprediction of the aniline derivatives toxicities toTetrahymena pyriformisusing chemometrics tools
inferred← citeshttps://doi.org/10.1080/10408444.2018.1528207openalex-snapshot
Computational approaches for skin sensitization prediction
inferred← citeshttps://doi.org/10.1080/10408444.2022.2033162openalex-snapshot
Implementation of a dermal sensitization threshold (DST) concept for risk assessment: structure-based DST and in vitro data-based DST
inferred← citeshttps://doi.org/10.1080/10408444.2022.2111252openalex-snapshot
Peptide reactivity assays for skin sensitisation – scope and limitations
inferred← citeshttps://doi.org/10.1080/10629360701306118openalex-snapshot
Global (Q)SARs for skin sensitisation–assessment against OECD principles‖
inferred← citeshttps://doi.org/10.1080/10629360701427872openalex-snapshot
An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potential
inferred← citeshttps://doi.org/10.1080/10629360802083848openalex-snapshot
Toxmatch–a new software tool to aid in the development and evaluation of chemically similar groups
inferred← citeshttps://doi.org/10.1080/10629360802348985openalex-snapshot
Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach
inferred← citeshttps://doi.org/10.1080/10629360802550366openalex-snapshot
Definition of the structural domain of the baseline non-polar narcosis model for Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1080/10629361003773955openalex-snapshot
Prediction of skin sensitization potential using D-optimal design and GA-kNN classification methods
inferred← citeshttps://doi.org/10.1080/1062936x.2010.528448openalex-snapshot
Non-testing approaches under REACH – help or hindrance? Perspectives from a practitioner within industry
inferred← citeshttps://doi.org/10.1080/1062936x.2010.528449openalex-snapshot
Reactivity and aquatic toxicity of aromatic compounds transformable to quinone-type Michael acceptors
inferred← citeshttps://doi.org/10.1080/1062936x.2010.528933openalex-snapshot
Reactivity-based toxicity modelling of five-membered heterocyclic compounds: Application toTetrahymena pyriformis
inferred← citeshttps://doi.org/10.1080/1062936x.2010.528943openalex-snapshot
Examination of Michael addition reactivity towards glutathione by transition-state calculations
inferred← citeshttps://doi.org/10.1080/1062936x.2011.569944openalex-snapshot
Application of chemical reaction mechanistic domains to an ecotoxicity QSAR model, the KAshinhou Tool for Ecotoxicity (KATE)
inferred← citeshttps://doi.org/10.1080/1062936x.2011.604100openalex-snapshot
Repeatability analysis of theTetrahymena pyriformispopulation growth impairment assay
inferred← citeshttps://doi.org/10.1080/1062936x.2011.636381openalex-snapshot
Consideration of reactivity to acute fish toxicity ofα,β-unsaturated carbonyl ketones and aldehydes
inferred← citeshttps://doi.org/10.1080/1062936x.2011.645872openalex-snapshot
QSTR with extended topochemical atom (ETA) indices. 15. Development of predictive models for toxicity of organic chemicals against fathead minnow using second-generation ETA indices
inferred← citeshttps://doi.org/10.1080/1062936x.2012.679691openalex-snapshot
The definition of the applicability domain relevant to skin sensitization for the aromatic nucleophilic substitution mechanism
inferred← citeshttps://doi.org/10.1080/1062936x.2013.773377openalex-snapshot
The definition of the toxicologically relevant applicability domain for the SNAr reaction for substituted pyridines and pyrimidines
inferred← citeshttps://doi.org/10.1080/1062936x.2013.792874openalex-snapshot
Experimental verification, and domain definition, of structural alerts for protein binding: epoxides, lactones, nitroso, nitros, aldehydes and ketones
inferred← citeshttps://doi.org/10.1080/1062936x.2013.820793openalex-snapshot
Experimental verification of structural alerts for the protein binding of cyclic compounds acting as Michael acceptors
inferred← citeshttps://doi.org/10.1080/1062936x.2013.840678openalex-snapshot
Straightforward MIA‐QSTR evaluation of environmental toxicities of aromatic aldehydes toTetrahymena pyriformis
inferred← citeshttps://doi.org/10.1080/1062936x.2014.898693openalex-snapshot
Experimental verification of structural alerts for the protein binding of sulfur-containing compounds
inferred← citeshttps://doi.org/10.1080/1062936x.2016.1174151openalex-snapshot
Predicting algal growth inhibition toxicity: three-step strategy using structural and physicochemical properties
inferred← citeshttps://doi.org/10.1080/1062936x.2023.2278074openalex-snapshot
QSAR assessment of aquatic toxicity potential of diverse agrochemicals
inferred← citeshttps://doi.org/10.1080/15287394.2019.1609183openalex-snapshot
Alternative skin sensitization prediction and risk assessment using proinflammatory biomarkers, interleukin-1 beta (IL-1β) and inducible nitric oxide synthase (iNOS)
inferred← citeshttps://doi.org/10.1080/1547691x.2018.1465144openalex-snapshot
Predicting skin sensitization potential of organic compounds based on toxicity enhancement to Tetrahymena pyriformis, fathead minnow, and Daphnia magna
inferred← citeshttps://doi.org/10.1080/15569520701622993openalex-snapshot
In Vitro Approaches to the Identification and Characterization of Skin Sensitizers
inferred← citeshttps://doi.org/10.1089/aivt.2017.0010openalex-snapshot
An Adverse Outcome Pathway for Sensitization of the Respiratory Tract by Low-Molecular-Weight Chemicals: Building Evidence to Support the Utility of In Vitro and In Silico Methods in a Regulatory Context
inferred← citeshttps://doi.org/10.1089/aivt.2017.0023openalex-snapshot
Alternative Integrated Testing for Skin Sensitization: Assuring Consumer Safety
inferred← citeshttps://doi.org/10.1089/aivt.2017.0040openalex-snapshot
Development of a Profiler for Facile Chemical Reactivity Using the Open-Source Konstanz Information Miner
inferred← citeshttps://doi.org/10.1093/toxsci/kfn181openalex-snapshot
Nonanimal Alternatives for Skin Sensitization: Letter to the Editor
showing the first 200 of 254 · page through all 254
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.